Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50106539
Substrate
n/a
Meas. Tech.
ChEMBL_30463 (CHEMBL643124)
Ki
14.7±n/a nM
Citation
 Jacobson, KA; Gao, ZG; Chen, A; Barak, D; Kim, SA; Lee, K; Link, A; Rompaey, PV; van Calenbergh, S; Liang, BT Neoceptor concept based on molecular complementarity in GPCRs: a mutant adenosine A(3) receptor with selectively enhanced affinity for amine-modified nucleosides. J Med Chem 44:4125-36 (2001) [PubMed]  Article 
Target
Name:
Adenosine receptor A3
Synonyms:
AA3R_RAT | Adenosine A3 receptor | Adenosine receptor A2a and A3 | Adora3
Type:
PROTEIN
Mol. Mass.:
36643.73
Organism:
Rattus norvegicus
Description:
ChEMBL_479910
Residue:
320
Sequence:
MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
  
Inhibitor
Name:
BDBM50106539
Synonyms:
(2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(2-aminoethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide | 5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE | 5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide | Adenosine analog, 1 | CHEMBL129903
Type:
Small organic molecule
Emp. Form.:
C12H17N7O4
Mol. Mass.:
323.3079
SMILES:
NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Structure:
Search PDB for entries with ligand similarity: